5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one

C11H11NO2S — CID 67057342

IUPAC5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one
SMILESCC(C)c1ccc(-c2nsc(=O)o2)cc1
InChIInChI=1S/C11H11NO2S/c1-7(2)8-3-5-9(6-4-8)10-12-15-11(13)14-10/h3-7H,1-2H3
InChIKeyKRWOCNIKEHCKKI-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.89
Rot. Bonds2

About 5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one

5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one (PubChem CID 67057342) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one
PubChem CID67057342
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one
SMILESCC(C)c1ccc(-c2nsc(=O)o2)cc1
InChIInChI=1S/C11H11NO2S/c1-7(2)8-3-5-9(6-4-8)10-12-15-11(13)14-10/h3-7H,1-2H3
InChIKeyKRWOCNIKEHCKKI-UHFFFAOYSA-N
XLogP2.89
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one?
The IUPAC name of 5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one (CID 67057342) is 5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one is CC(C)c1ccc(-c2nsc(=O)o2)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one?
The InChIKey is KRWOCNIKEHCKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7(2)8-3-5-9(6-4-8)10-12-15-11(13)14-10/h3-7H,1-2H3.
What are the key properties of 5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one?
5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one has a molecular weight of 221.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one is sourced from PubChem (CID 67057342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).